N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-2-chloro-4-nitro-benzamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-2-chloro-4-nitro-benzamide Formula: C25H32ClN9O3 MolecularWeight: 542.03308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)NC5CCC(CC5)N

InChI

InChI=1S/C25H32ClN9O3/c26-20-13-18(35(37)38)9-10-19(20)24(36)29-12-11-28-22-21-23(34(14-30-21)17-3-1-2-4-17)33-25(32-22)31-16-7-5-15(27)6-8-16/h9-10,13-17H,1-8,11-12,27H2,(H,29,36)(H2,28,31,32,33)